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Mass spectrometry plays a fundamental role in elucidating the structures of unknown molecules and subsequent scientific discoveries. One formulation of the structure elucidation task is the conditional de novo generation of molecular…

Machine Learning · Computer Science 2025-05-29 Montgomery Bohde , Mrunali Manjrekar , Runzhong Wang , Shuiwang Ji , Connor W. Coley

Diffusion of molecules in cells plays an important role in providing a biological reaction on the surface by finding a target on the membrane surface. The water retardation (slow diffusion) near the target assists the searching molecules to…

Statistical Mechanics · Physics 2015-09-02 Takuma Akimoto , Kazuhiko Seki

Despite decades of research, the modeling of moving contact lines has remained a formidable challenge in fluid dynamics whose resolution will impact numerous industrial, biological, and daily life applications. On the one hand, molecular…

Soft Condensed Matter · Physics 2018-11-09 E. R. Smith , P. E. Theodorakis , R. V. Craster , O. K. Matar

Predictive modeling of the evolutionary dynamics of cancer is a challenge issue in computational cancer biology. In this paper, we propose a general mathematical model framework for the evolutionary dynamics of cancer with plasticity and…

Cell Behavior · Quantitative Biology 2020-01-10 Jinzhi Lei

The migratory dynamics of cells can be influenced by the complex micro-environment through which they move. It remains unclear how the motility machinery of confined cells responds and adapts to their micro-environment. Here, we propose a…

Biological Physics · Physics 2023-12-04 Johannes Flommersfeld , Stefan Stöberl , Omar Shah , Joachim O. Rädler , Chase P. Broedersz

Diffusion Models (DMs) have demonstrated state-of-the-art performance in content generation without requiring adversarial training. These models are trained using a two-step process. First, a forward - diffusion - process gradually adds…

Computer Vision and Pattern Recognition · Computer Science 2024-03-13 Anwaar Ulhaq , Naveed Akhtar

Systemic properties of living cells are the result of molecular dynamics governed by so-called genetic regulatory networks (GRN). These networks capture all possible features of cells and are responsible for the immense levels of adaptation…

Molecular Networks · Quantitative Biology 2015-06-04 Rudolf Hanel , Manfred Pöchacker , Manuel Schölling , Stefan Thurner

Stem cells, through their ability to produce daughter stem cells and differentiate into specialized cells, are essential in the growth, maintenance, and repair of biological tissues. Understanding the dynamics of cell populations in the…

Applications · Statistics 2026-02-02 Huyen Nguyen , Haim Bar , Zhiyi Chi , Vladimir Pozdnyakov

Molecular communication (MC) is a new communication engineering paradigm where molecules are employed as information carriers. MC systems are expected to enable new revolutionary applications such as sensing of target substances in…

Emerging Technologies · Computer Science 2018-12-14 Vahid Jamali , Arman Ahmadzadeh , Wayan Wicke , Adam Noel , Robert Schober

Droplets are essential for spatially controlling biomolecules in cells. To work properly, cells need to control the emergence and morphology of droplets. On the one hand, driven chemical reactions can affect droplets profoundly. For…

Soft Condensed Matter · Physics 2024-03-14 Noah Ziethen , David Zwicker

Convection is ubiquitous in stellar and planetary interiors where it likely plays an integral role in the generation of magnetic fields. As the interiors of these objects remain hidden from direct observation, numerical models of convection…

Solar and Stellar Astrophysics · Physics 2026-01-22 Brandon J. Lazard , Nicholas A. Featherstone , Jonathan M. Aurnou

This work probes the role of cell geometry in orienting self-organized fluid flows in the late stage Drosophila oocyte. Recent theoretical work has shown that a model, which relies only on hydrodynamic interactions of flexible, cortically…

Neural representations of 3D data have been widely adopted across various applications, particularly in recent work leveraging coordinate-based networks to model scalar or vector fields. However, these approaches face inherent challenges,…

Computer Vision and Pattern Recognition · Computer Science 2026-02-24 Biao Zhang , Jing Ren , Peter Wonka

Stochastically evolving geometric systems are studied in shape analysis and computational anatomy for modelling random evolutions of human organ shapes. The notion of geodesic paths between shapes is central to shape analysis and has a…

Numerical Analysis · Mathematics 2022-12-01 Alexis Arnaudon , Frank van der Meulen , Moritz Schauer , Stefan Sommer

Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant…

Machine Learning · Computer Science 2025-07-01 Yuhui Ding , Thomas Hofmann

Understanding cellular response to mechanical forces is immensely important for a plethora of biological processes. Focal adhesions are multi-molecular protein assemblies that connect the cell to the extracellular matrix and play a pivotal…

Biological Physics · Physics 2019-10-25 Rumi De

The spatiotemporal coordination and regulation of cell proliferation is fundamental in many aspects of development and tissue maintenance. Cells have the ability to adapt their division rates in response to mechanical constraints, yet we do…

Quantitative Methods · Quantitative Biology 2024-04-25 Carles Falcó , Daniel J. Cohen , José A. Carrillo , Ruth E. Baker

Diffusion models have recently emerged as a powerful technique in image generation, especially for image super-resolution tasks. While 2D diffusion models significantly enhance the resolution of individual images, existing diffusion-based…

Computer Vision and Pattern Recognition · Computer Science 2024-11-27 Bohao Chen , Yanchao Zhang , Yanan Lv , Hua Han , Xi Chen

Growth patterns generated by filamentous organisms (e.g. actinomycetes and fungi) involve spatial and temporal dynamics at different length scales. Several mathematical models have been proposed in the last thirty years to address these…

Populations and Evolution · Quantitative Biology 2007-05-23 Michele Bezzi , Andrea Ciliberto

3D spatial graphs play a crucial role in biological and clinical research by modeling anatomical networks such as blood vessels,neurons, and airways. However, generating 3D biological graphs while maintaining anatomical validity remains…

Computer Vision and Pattern Recognition · Computer Science 2025-07-08 Chinmay Prabhakar , Suprosanna Shit , Tamaz Amiranashvili , Hongwei Bran Li , Bjoern Menze
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